Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.51 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.44 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | SI | P14410 | 3/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28885915 | 0.84 | NR4A2 (0.50) | GPR84KIF11NR4A2CREBBPCDK2 | |
| SCHEMBL28369568 | 0.83 | GPR84 (0.49) | GPR84KIF11NR4A2CREBBPCDK2 | |
| SCHEMBL28369949 | 0.80 | NR4A2 (0.58) | GPR84NR4A2CREBBPRAB9APDE1C | |
| SCHEMBL27586464 | 0.79 | ALDH1A1 (0.56) | GPR84NOD2MGAMGAASI | |
| SCHEMBL28369578 | 0.77 | ALDH1A1 (0.43) | KIF11NR4A2CREBBPPARP1MAPT | |
| SCHEMBL28369463 | 0.76 | ALDH1A1 (0.43) | KIF11NR4A2CREBBPPARP1MAPT | |
| SCHEMBL17912674 | 0.75 | NR4A2 (0.54) | GPR84KIF11NR4A2CREBBPCDK2 | |
| SCHEMBL28428982 | 0.74 | GPR84 (0.49) | GPR84KIF11NR4A2CREBBPCDK2 | |
| SCHEMBL21383576 | 0.73 | NR3C1 (0.58) | GPR84NR4A2CREBBPRAB9AMGAM | |
| SCHEMBL28375664 | 0.73 | KMT2A (0.47) | GPR84NR4A2CREBBP |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107149602-B | Application of indole compounds and derivatives thereof in preparation of anti-HIV drugs | 中国医学科学院药物研究所 | 2020-10-09 | — | — | CN | disclosed |
| CN-107149603-B | Application of indole compounds and derivatives thereof in preparation of anti-influenza virus drugs | 中国医学科学院药物研究所 | 2020-07-14 | — | — | CN | disclosed |
| CN-107176921-B | Indole compounds with antiviral activity in isatis root and derivatives thereof | 中国医学科学院药物研究所 | 2020-03-31 | — | — | CN | disclosed |